CID 135508867

[(2s,5s)-5-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethyl)-pyrrolidin-2-yl]-phosphonic acid

Structural Information

Molecular Formula
C10H15N6O4P
SMILES
C1C[C@@H](N[C@@H]1CN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O
InChI
InChI=1S/C10H15N6O4P/c11-10-14-8-7(9(17)15-10)12-4-16(8)3-5-1-2-6(13-5)21(18,19)20/h4-6,13H,1-3H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6-/m0/s1
InChIKey
OITSOZVHYCCVBU-WDSKDSINSA-N
Compound name
[(2S,5S)-5-[(2-amino-6-oxo-1H-purin-9-yl)methyl]pyrrolidin-2-yl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.08923 Da
Monoisotopic Mass

-5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09651 169.8
[M+Na]+ 337.07845 177.3
[M-H]- 313.08195 166.0
[M+NH4]+ 332.12305 179.2
[M+K]+ 353.05239 173.0
[M+H-H2O]+ 297.08649 159.6
[M+HCOO]- 359.08743 187.0
[M+CH3COO]- 373.10308 197.3
[M+Na-2H]- 335.06390 168.6
[M]+ 314.08868 165.6
[M]- 314.08978 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.